SCHEMBL8618019

SCHEMBL8618019

CNCC(C#N)(C#N)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 19/20 0.52
CCR3 P51677 1/20 0.49
DRD2 P14416 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8620232 0.91 DRD4 (0.51) DRD4DRD2
SCHEMBL8618835 0.88 DRD4 (0.51) DRD4
SCHEMBL8619300 0.86 DRD4 (0.45) DRD4DRD2
SCHEMBL8616978 0.86 DRD4 (0.52) DRD4DRD2
SCHEMBL8621587 0.86 DRD4 (0.59) DRD4DRD2
SCHEMBL8619286 0.82 CCR3 (0.46) DRD4CCR3
SCHEMBL7502764 0.77 DRD4 (0.50) DRD4CCR3DRD2
SCHEMBL7502760 0.77 CCR3 (0.55) DRD4CCR3
SCHEMBL8709993 0.76 DRD4 (0.45) DRD4
SCHEMBL8708425 0.75 DRD4 (0.48) DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed